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N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

C19H20ClN5O4S — CID 50785184

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2nc(N3CCOCC3)sc2c1=O
InChIInChI=1S/C19H20ClN5O4S/c1-11-7-13(14(28-2)8-12(11)20)22-15(26)9-25-10-21-17-16(18(25)27)30-19(23-17)24-3-5-29-6-4-24/h7-8,10H,3-6,9H2,1-2H3,(H,22,26)
InChIKeyHWYQHBWGABVOFU-UHFFFAOYSA-N
MW449.92 g/mol
LogP2.30
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 50785184) has the molecular formula C19H20ClN5O4S and a molecular weight of 449.92 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID50785184
Molecular FormulaC19H20ClN5O4S
Molecular Weight449.92 g/mol
Exact Mass449.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2nc(N3CCOCC3)sc2c1=O
InChIInChI=1S/C19H20ClN5O4S/c1-11-7-13(14(28-2)8-12(11)20)22-15(26)9-25-10-21-17-16(18(25)27)30-19(23-17)24-3-5-29-6-4-24/h7-8,10H,3-6,9H2,1-2H3,(H,22,26)
InChIKeyHWYQHBWGABVOFU-UHFFFAOYSA-N
XLogP2.30
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 50785184) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2nc(N3CCOCC3)sc2c1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is HWYQHBWGABVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O4S/c1-11-7-13(14(28-2)8-12(11)20)22-15(26)9-25-10-21-17-16(18(25)27)30-19(23-17)24-3-5-29-6-4-24/h7-8,10H,3-6,9H2,1-2H3,(H,22,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 449.92 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50785184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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